(2S)-N-(3-azanylpropyl)-3-(1H-imidazol-5-yl)-2-[2-(octadecylamino)ethanoylamino]propanamide hydrochloride

Systemtic Name: (2S)-N-(3-azanylpropyl)-3-(1H-imidazol-5-yl)-2-[2-(octadecylamino)ethanoylamino]propanamide hydrochloride Openeye Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(octadecylamino)acetyl]amino]propanamide hydrochloride CAS Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(octadecylamino)-1-oxoethyl]amino]propanamide hydrochloride IUPAC Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(octadecylamino)acetyl]amino]propanamide hydrochloride Traditional Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(stearylamino)acetyl]amino]propionamide hydrochloride Formula: C29H57ClN6O2 MolecularWeight: 557.25488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(=O)NC(CC1=CN=CN1)C(=O)NCCCN.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCCCN.Cl

InChI

InChI=1S/C29H56N6O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-28(36)35-27(22-26-23-32-25-34-26)29(37)33-21-18-19-30;/h23,25,27,31H,2-22,24,30H2,1H3,(H,32,34)(H,33,37)(H,35,36);1H/t27-;/m0./s1